7,7,9,9-tetramethyl-8,28-dioxa-7,9-disilaoctacyclo[13.6.6.13,13.02,14.04,12.06,10.016,21.022,27]octacosa-4,6(10),11,16,18,20,22,24,26-nonaene | 1244739-12-5

• 分子结构分类: 有机化合物 - 木脂素、新木脂素和相关化合物
• 英文名称: 7,7,9,9-tetramethyl-8,28-dioxa-7,9-disilaoctacyclo[13.6.6.13,13.02,14.04,12.06,10.016,21.022,27]octacosa-4,6(10),11,16,18,20,22,24,26-nonaene
• CAS: 1244739-12-5
• 化学式: C₂₈H₂₈O₂Si₂
• 分子量: 452.7
• InChiKey: ZNPFISVPEBJAKW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.19
• 重原子数：
  32.0
• 可旋转键数：
  0.0
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  18.46
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  7,7,9,9-tetramethyl-8,28-dioxa-7,9-disilaoctacyclo[13.6.6.13,13.02,14.04,12.06,10.016,21.022,27]octacosa-4,6(10),11,16,18,20,22,24,26-nonaene 在 三氟甲磺酸 、 碘苯二乙酸 、 乙酸酐 、 溶剂黄146 作用下， 以 二氯甲烷 为溶剂， 反应 25.0h， 生成 29-Oxaoctacyclo[14.6.6.17,10.02,15.04,13.06,11.017,22.023,28]nonacosa-2,4,6(11),8,12,14,17,19,21,23,25,27-dodecaene
  参考文献：
  名称：

  Oxadisilole Fused Triptycene and Extended Triptycene: Precursors of Triptycyne and Extended Triptycyne

  摘要：

  With benzobisoxadisilole 1 as a 1,4-benzdiyne equivalent, oxadisilole fused triptycene Sand extended triptycene 6 were synthesized. Triptycenes 5 and 6 are new precursors of triptycyne 7 and extended triptycyne 8 respectively via the phenyliodination/fluoride induced elimination protocol. Using these two arynes, a series or triptycene derivatives Were synthesized.

  DOI：

  10.1021/jo1016025
• 作为产物：
  描述：

  5,5,7,7-Tetramethyl-6,14-dioxa-5,7-disilatetracyclo[9.2.1.02,10.04,8]tetradeca-2,4(8),9,12-tetraene 、 蒽 在 水 作用下， 135.0 ℃ 、1.2 MPa 条件下， 反应 0.67h， 以93%的产率得到7,7,9,9-tetramethyl-8,28-dioxa-7,9-disilaoctacyclo[13.6.6.13,13.02,14.04,12.06,10.016,21.022,27]octacosa-4,6(10),11,16,18,20,22,24,26-nonaene
  参考文献：
  名称：

  Oxadisilole Fused Triptycene and Extended Triptycene: Precursors of Triptycyne and Extended Triptycyne

  摘要：

  With benzobisoxadisilole 1 as a 1,4-benzdiyne equivalent, oxadisilole fused triptycene Sand extended triptycene 6 were synthesized. Triptycenes 5 and 6 are new precursors of triptycyne 7 and extended triptycyne 8 respectively via the phenyliodination/fluoride induced elimination protocol. Using these two arynes, a series or triptycene derivatives Were synthesized.

  DOI：

  10.1021/jo1016025